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Search term: ASQJDYFICBMIJF-MJLLELGHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R,3aS,4S,7aS)-3-Hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-(4-methoxyphenyl)-2-butanyl]carbamate | C30H42N2O10S

(3R,3aS,4S,7aS)-3-Hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-(4-methoxyphenyl)-2-butanyl]carbamate

  • Molecular FormulaC30H42N2O10S
  • Average mass622.727 Da
  • Monoisotopic mass622.256042 Da
  • ChemSpider ID34556239

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3r,3as,4s,7as)-3-Hydroxyhexahydro-4h-Furo[2,3-B]pyran-4-Yl [(2s,3r)-3-Hydroxy-1-(4-Methoxyphenyl)-4-{[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)amino}butan-2-Yl]carbamate
(3R,3aS,4S,7aS)-3-Hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-(4-methoxyphenyl)-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,4S,7aS)-3-Hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-(4-methoxyphenyl)-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-{isobutyl[(4-méthoxyphényl)sulfonyl]amino}-1-(4-méthoxyphényl)-2-butanyl]carbamate de (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-1-[(4-methoxyphenyl)methyl]-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-, (3R,3aS,4S,7aS)-hexahydro-3-hydroxy-4H-furo[2,3-b]pyran-4-yl ester [ACD/Index Name]
52Z

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 158.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 437.36
ACD/KOC (pH 5.5): 2703.46
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 437.30
ACD/KOC (pH 7.4): 2703.04
Polar Surface Area: 161 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 462.4±5.0 cm3

Click to predict properties on the Chemicalize site


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